2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C25H20F3N3O2 — CID 10114892

IUPAC2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H20F3N3O2/c26-25(27,28)19-13-22(33-15-16-11-12-16)30-24-23(19)20(32)14-21(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18/h1-10,13-14,16,29H,11-12,15H2
InChIKeyMZJKSFXSSFWUDW-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.94
Rot. Bonds6

About 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10114892) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10114892
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H20F3N3O2/c26-25(27,28)19-13-22(33-15-16-11-12-16)30-24-23(19)20(32)14-21(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18/h1-10,13-14,16,29H,11-12,15H2
InChIKeyMZJKSFXSSFWUDW-UHFFFAOYSA-N
XLogP5.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10114892) is 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC3CC3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is MZJKSFXSSFWUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c26-25(27,28)19-13-22(33-15-16-11-12-16)30-24-23(19)20(32)14-21(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18/h1-10,13-14,16,29H,11-12,15H2.
What are the key properties of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 451.45 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10114892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).